4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine

C31H22N2 — CID 118490750

IUPAC4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C31H22N2/c1-21-10-12-24(13-11-21)29-20-30(27-16-14-22-6-2-4-8-25(22)18-27)33-31(32-29)28-17-15-23-7-3-5-9-26(23)19-28/h2-20H,1H3
InChIKeyVQEXCTXFVLCIEN-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.09
Rot. Bonds3

About 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine

4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine (PubChem CID 118490750) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
PubChem CID118490750
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C31H22N2/c1-21-10-12-24(13-11-21)29-20-30(27-16-14-22-6-2-4-8-25(22)18-27)33-31(32-29)28-17-15-23-7-3-5-9-26(23)19-28/h2-20H,1H3
InChIKeyVQEXCTXFVLCIEN-UHFFFAOYSA-N
XLogP8.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
CID 137433549
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine (CID 118490750) is 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine is Cc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is VQEXCTXFVLCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-21-10-12-24(13-11-21)29-20-30(27-16-14-22-6-2-4-8-25(22)18-27)33-31(32-29)28-17-15-23-7-3-5-9-26(23)19-28/h2-20H,1H3.
What are the key properties of 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine?
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine has a molecular weight of 422.53 g/mol, XLogP of 8.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 118490750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).